MLViS: A Web Tool for Machine Learning-Based Virtual Screening in Early-Phase of Drug Discovery and Development
出版年份 2015 全文链接
标题
MLViS: A Web Tool for Machine Learning-Based Virtual Screening in Early-Phase of Drug Discovery and Development
作者
关键词
Machine learning algorithms, Support vector machines, Algorithms, Machine learning, Decision trees, Drug discovery, Kernel functions, Linear discriminant analysis
出版物
PLoS One
Volume 10, Issue 4, Pages e0124600
出版商
Public Library of Science (PLoS)
发表日期
2015-05-01
DOI
10.1371/journal.pone.0124600
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers
- (2015) Feixiong Cheng et al. Journal of Chemical Information and Modeling
- Building Predictive Models inRUsing thecaretPackage
- (2015) Max Kuhn Journal of Statistical Software
- An Object-Oriented Framework for Robust Multivariate Analysis
- (2015) Valentin Todorov et al. Journal of Statistical Software
- Drug/nondrug classification using Support Vector Machines with various feature selection strategies
- (2014) Selcuk Korkmaz et al. COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE
- Development and implementation of (Q)SAR modeling within the CHARMMing web-user interface
- (2014) Iwona E. Weidlich et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Predictions of BuChE Inhibitors Using Support Vector Machine and Naive Bayesian Classification Techniques in Drug Discovery
- (2013) Jiansong Fang et al. Journal of Chemical Information and Modeling
- MolClass: a web portal to interrogate diverse small molecule screen datasets with different computational models
- (2012) J. Wildenhain et al. BIOINFORMATICS
- Machine Learning Techniques and Drug Design
- (2012) J.C. Gertrudes et al. CURRENT MEDICINAL CHEMISTRY
- DrugLogit: Logistic Discrimination between Drugs and Nondrugs Including Disease-Specificity by Assigning Probabilities Based on Molecular Properties
- (2012) Alfonso T. García-Sosa et al. Journal of Chemical Information and Modeling
- Interactions of mefloquine with praziquantel in the Schistosoma mansoni mouse model and in vitro
- (2011) J. Keiser et al. JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY
- Ranking Chemical Structures for Drug Discovery: A New Machine Learning Approach
- (2010) Shivani Agarwal et al. Journal of Chemical Information and Modeling
- Ligand-Based Virtual Screening Using Bayesian Networks
- (2010) Ammar Abdo et al. Journal of Chemical Information and Modeling
- StructRank: A New Approach for Ligand-Based Virtual Screening
- (2010) Fabian Rathke et al. Journal of Chemical Information and Modeling
- RUSBoost: A Hybrid Approach to Alleviating Class Imbalance
- (2009) Chris Seiffert et al. IEEE TRANSACTIONS ON SYSTEMS MAN AND CYBERNETICS PART A-SYSTEMS AND HUMANS
- SVM Model for Virtual Screening of Lck Inhibitors
- (2009) Chin Y. Liew et al. Journal of Chemical Information and Modeling
- Searching for Target-Selective Compounds Using Different Combinations of Multiclass Support Vector Machine Ranking Methods, Kernel Functions, and Fingerprint Descriptors
- (2009) Anne Mai Wassermann et al. Journal of Chemical Information and Modeling
- ChemmineR: a compound mining framework for R
- (2008) Y. Cao et al. BIOINFORMATICS
Publish scientific posters with Peeref
Peeref publishes scientific posters from all research disciplines. Our Diamond Open Access policy means free access to content and no publication fees for authors.
Learn MoreAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started